1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene

C184H118 — CID 159069619

IUPAC1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc2c(-c3ccc4c(-c5cccc6ccccc56)ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)cccc2c1
InChIInChI=1S/2C50H32.C48H30.C36H24/c1-2-12-33(13-3-1)38-31-48-41-21-9-6-16-36(41)24-26-46(48)50(32-38)47-29-28-44(43-23-11-18-35-15-5-8-20-40(35)43)45-27-25-37(30-49(45)47)42-22-10-17-34-14-4-7-19-39(34)42;1-2-11-33(12-3-1)40-31-48-42-19-9-7-15-36(42)23-25-46(48)50(32-40)47-28-27-44(43-20-10-17-35-14-6-8-18-41(35)43)45-26-24-39(30-49(45)47)38-22-21-34-13-4-5-16-37(34)29-38;1-3-15-35-31(11-1)13-9-21-37(35)33-23-26-46-44(39-22-10-14-32-12-2-4-16-36(32)39)28-27-38(47(46)29-33)34-24-25-45-42-19-6-5-17-40(42)41-18-7-8-20-43(41)48(45)30-34;1-2-10-27(11-3-1)33-20-21-34(32-17-15-26-9-5-7-13-29(26)23-32)35-19-18-31(24-36(33)35)30-16-14-25-8-4-6-12-28(25)22-30/h2*1-32H;1-30H;1-24H
InChIKeyJZMBXEYOINWVFD-UHFFFAOYSA-N
MW2328.97 g/mol
LogP52.00
Rot. Bonds14

About 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene

1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene (PubChem CID 159069619) has the molecular formula C184H118 and a molecular weight of 2328.97 g/mol. Its IUPAC name is 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene.

Molecular Properties

Compound Name1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
PubChem CID159069619
Molecular FormulaC184H118
Molecular Weight2328.97 g/mol
Exact Mass2326.92
IUPAC Name1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc2c(-c3ccc4c(-c5cccc6ccccc56)ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)cccc2c1
InChIInChI=1S/2C50H32.C48H30.C36H24/c1-2-12-33(13-3-1)38-31-48-41-21-9-6-16-36(41)24-26-46(48)50(32-38)47-29-28-44(43-23-11-18-35-15-5-8-20-40(35)43)45-27-25-37(30-49(45)47)42-22-10-17-34-14-4-7-19-39(34)42;1-2-11-33(12-3-1)40-31-48-42-19-9-7-15-36(42)23-25-46(48)50(32-40)47-28-27-44(43-20-10-17-35-14-6-8-18-41(35)43)45-26-24-39(30-49(45)47)38-22-21-34-13-4-5-16-37(34)29-38;1-3-15-35-31(11-1)13-9-21-37(35)33-23-26-46-44(39-22-10-14-32-12-2-4-16-36(32)39)28-27-38(47(46)29-33)34-24-25-45-42-19-6-5-17-40(42)41-18-7-8-20-43(41)48(45)30-34;1-2-10-27(11-3-1)33-20-21-34(32-17-15-26-9-5-7-13-29(26)23-32)35-19-18-31(24-36(33)35)30-16-14-25-8-4-6-12-28(25)22-30/h2*1-32H;1-30H;1-24H
InChIKeyJZMBXEYOINWVFD-UHFFFAOYSA-N
XLogP52.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002328.97
LogP ≤ 552.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene with MolForge

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Related Compounds

6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;2,9-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(3,4-diphenylphenyl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(4-methylphenyl)-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-1-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-2-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene
CID 162038318
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
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1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
10-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 158518187
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene?
The IUPAC name of 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene (CID 159069619) is 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene.
What is the SMILES notation for 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene?
The canonical SMILES for 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene is c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6ccccc6c5)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc2c(-c3ccc4c(-c5cccc6ccccc56)ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4c3)cccc2c1.
What is the InChIKey of 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene?
The InChIKey is JZMBXEYOINWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32.C48H30.C36H24/c1-2-12-33(13-3-1)38-31-48-41-21-9-6-16-36(41)24-26-46(48)50(32-38)47-29-28-44(43-23-11-18-35-15-5-8-20-40(35)43)45-27-25-37(30-49(45)47)42-22-10-17-34-14-4-7-19-39(34)42;1-2-11-33(12-3-1)40-31-48-42-19-9-7-15-36(42)23-25-46(48)50(32-40)47-28-27-44(43-20-10-17-35-14-6-8-18-41(35)43)45-26-24-39(30-49(45)47)38-22-21-34-13-4-5-16-37(34)29-38;1-3-15-35-31(11-1)13-9-21-37(35)33-23-26-46-44(39-22-10-14-32-12-2-4-16-36(32)39)28-27-38(47(46)29-33)34-24-25-45-42-19-6-5-17-40(42)41-18-7-8-20-43(41)48(45)30-34;1-2-10-27(11-3-1)33-20-21-34(32-17-15-26-9-5-7-13-29(26)23-32)35-19-18-31(24-36(33)35)30-16-14-25-8-4-6-12-28(25)22-30/h2*1-32H;1-30H;1-24H.
What are the key properties of 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene?
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene has a molecular weight of 2328.97 g/mol, XLogP of 52.00, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene is sourced from PubChem (CID 159069619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).